2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide

C14H25N3OS — CID 52677539

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1cnc(C)s1
InChIInChI=1S/C14H25N3OS/c1-5-7-17(8-6-2)14(18)11-16(4)10-13-9-15-12(3)19-13/h9H,5-8,10-11H2,1-4H3
InChIKeyYPKDAQUTWSCZTL-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.53
Rot. Bonds8

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide (PubChem CID 52677539) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
PubChem CID52677539
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C)Cc1cnc(C)s1
InChIInChI=1S/C14H25N3OS/c1-5-7-17(8-6-2)14(18)11-16(4)10-13-9-15-12(3)19-13/h9H,5-8,10-11H2,1-4H3
InChIKeyYPKDAQUTWSCZTL-UHFFFAOYSA-N
XLogP2.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
CID 10913029
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 121446729
5-((Dimethylamino)methyl)-1,3-thiazole-2-carbaldehyde
CID 119030950
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 71846432
N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 56814376
1-(4-Hydroxypiperidin-1-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
CID 72104530
1-[3,3-Dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75500701
1-(2-Methoxyethyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 86785266
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
1-[4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 136537959

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide (CID 52677539) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C)Cc1cnc(C)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide?
The InChIKey is YPKDAQUTWSCZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-7-17(8-6-2)14(18)11-16(4)10-13-9-15-12(3)19-13/h9H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide has a molecular weight of 283.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 52677539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).